1-Ethyl-1-(2-hydroxyethyl)-2-(15-methylhexadecyl)-4,5-dihydro-1H-imidazol-1-ium
Basic information
- Standard SMILES
CC[N+]1(CCO)CCN=C1CCCCCCCCCCCCCCC(C)C- InChIKey
QVKDUMZZGVYDQD-UHFFFAOYSA-N- Molecular formula
- C24H49N2O+
- Average molar mass
- 381.7 g/mol
- Monoisotopic mass
- 381.38448919
Names & identifiers
- Preferred name
- 1-Ethyl-1-(2-hydroxyethyl)-2-(15-methylhexadecyl)-4,5-dihydro-1H-imidazol-1-ium
- IUPAC
- 2-[1-ethyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol
Names & synonyms
SCHEMBL9098904DTXSID908672851-Ethyl-1-(2-hydroxyethyl)-2-(15-methylhexadecyl)-4,5-dihydro-1H-imidazol-1-ium
Database identifiers
- PubChem CID
- 105487
- DTXSID
DTXSID90867285- Nikkaji
- J1.584.803K
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 18
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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